CID 41691

2,2'-biphenyldiglyoxylaldehyde

Structural Information

Molecular Formula

C₁₆H₁₀O₄

SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)C=O)C(=O)C=O

InChI

InChI=1S/C16H10O4/c17-9-15(19)13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(20)10-18/h1-10H

InChIKey

SPFQACGIOCIVKU-UHFFFAOYSA-N

Compound name

2-[2-(2-oxaldehydoylphenyl)phenyl]-2-oxoacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.05792 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.065196	156.1
[M+Na]+	289.047138	164.0
[M-H]-	265.050644	163.2
[M+NH4]+	284.091743	172.1
[M+K]+	305.021078	160.7
[M+H-H2O]+	249.055180	148.6
[M+HCOO]-	311.056121	179.5
[M+CH3COO]-	325.071771	197.0
[M+Na-2H]-	287.032586	159.5
[M]+	266.05737142	158.4
[M]-	266.05846858	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.